2-deuterio-2H-1,4-oxazine

C4H5NO — CID 175703471

IUPAC2-deuterio-2H-1,4-oxazine
SMILES[2H]C1C=NC=CO1
InChIInChI=1S/C4H5NO/c1-3-6-4-2-5-1/h1-3H,4H2/i4D
InChIKeyYHWMFDLNZGIJSD-QYKNYGDISA-N
MW84.10 g/mol
LogP0.56
Rot. Bonds

About 2-deuterio-2H-1,4-oxazine

2-deuterio-2H-1,4-oxazine (PubChem CID 175703471) has the molecular formula C4H5NO and a molecular weight of 84.10 g/mol. Its IUPAC name is 2-deuterio-2H-1,4-oxazine.

Molecular Properties

Compound Name2-deuterio-2H-1,4-oxazine
PubChem CID175703471
Molecular FormulaC4H5NO
Molecular Weight84.10 g/mol
Exact Mass84.04
IUPAC Name2-deuterio-2H-1,4-oxazine
SMILES[2H]C1C=NC=CO1
InChIInChI=1S/C4H5NO/c1-3-6-4-2-5-1/h1-3H,4H2/i4D
InChIKeyYHWMFDLNZGIJSD-QYKNYGDISA-N
XLogP0.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.10
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2H-1,4-oxazine?
The IUPAC name of 2-deuterio-2H-1,4-oxazine (CID 175703471) is 2-deuterio-2H-1,4-oxazine.
What is the SMILES notation for 2-deuterio-2H-1,4-oxazine?
The canonical SMILES for 2-deuterio-2H-1,4-oxazine is [2H]C1C=NC=CO1.
What is the InChIKey of 2-deuterio-2H-1,4-oxazine?
The InChIKey is YHWMFDLNZGIJSD-QYKNYGDISA-N. The full InChI is InChI=1S/C4H5NO/c1-3-6-4-2-5-1/h1-3H,4H2/i4D.
What are the key properties of 2-deuterio-2H-1,4-oxazine?
2-deuterio-2H-1,4-oxazine has a molecular weight of 84.10 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2H-1,4-oxazine is sourced from PubChem (CID 175703471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).